4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine

C13H13ClN2OS — CID 8750909

IUPAC4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NC3CC3)n2)cc1Cl
InChIInChI=1S/C13H13ClN2OS/c1-17-12-5-2-8(6-10(12)14)11-7-18-13(16-11)15-9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,15,16)
InChIKeyMCRYDMHXEHTDSY-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.05
Rot. Bonds4

About 4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine

4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine (PubChem CID 8750909) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine
PubChem CID8750909
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NC3CC3)n2)cc1Cl
InChIInChI=1S/C13H13ClN2OS/c1-17-12-5-2-8(6-10(12)14)11-7-18-13(16-11)15-9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,15,16)
InChIKeyMCRYDMHXEHTDSY-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194851
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 86780136
4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine
CID 127037401
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429
N-cyclopropyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 62941085
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3299476
4-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 28550985
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16562173
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 142697325
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 28550562
(2S)-2-amino-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119272131
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine (CID 8750909) is 4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine is COc1ccc(-c2csc(NC3CC3)n2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine?
The InChIKey is MCRYDMHXEHTDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-17-12-5-2-8(6-10(12)14)11-7-18-13(16-11)15-9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,15,16).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine?
4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine has a molecular weight of 280.78 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine is sourced from PubChem (CID 8750909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).